CID 369513

Nsc641293

Structural Information

Molecular Formula
C8H6ClN3O3S
SMILES
C1=CSC2=NC(=C(N21)C(=O)OCC(=O)N)Cl
InChI
InChI=1S/C8H6ClN3O3S/c9-6-5(7(14)15-3-4(10)13)12-1-2-16-8(12)11-6/h1-2H,3H2,(H2,10,13)
InChIKey
YZQSQMLTNNLOQX-UHFFFAOYSA-N
Compound name
(2-amino-2-oxoethyl) 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.98184 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98912 152.7
[M+Na]+ 281.97106 164.4
[M-H]- 257.97456 156.0
[M+NH4]+ 277.01566 172.7
[M+K]+ 297.94500 161.0
[M+H-H2O]+ 241.97910 147.5
[M+HCOO]- 303.98004 167.5
[M+CH3COO]- 317.99569 190.7
[M+Na-2H]- 279.95651 153.0
[M]+ 258.98129 160.0
[M]- 258.98239 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.